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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM51141'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a<1.24E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a<1.24E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM51141
PNG
(2-[4-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-2-(4-methoxy...)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H25N3O5S/c1-36-22-12-8-21(9-13-22)31-29-32(15-14-20-17-30-25-5-3-2-4-24(20)25)28(35)26(38-29)16-19-6-10-23(11-7-19)37-18-27(33)34/h2-13,16-17,30H,14-15,18H2,1H3,(H,33,34)/b26-16-,31-29-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.90E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2VM49Q7
More data for this
Ligand-Target Pair